ethyl 4-{[3-bromo-6-(4H-1,2,4-triazol-4-yl)pyridine-2-carbonyl]amino}benzoate
Chemical Structure Depiction of
ethyl 4-{[3-bromo-6-(4H-1,2,4-triazol-4-yl)pyridine-2-carbonyl]amino}benzoate
ethyl 4-{[3-bromo-6-(4H-1,2,4-triazol-4-yl)pyridine-2-carbonyl]amino}benzoate
Compound characteristics
| Compound ID: | J015-0207 |
| Compound Name: | ethyl 4-{[3-bromo-6-(4H-1,2,4-triazol-4-yl)pyridine-2-carbonyl]amino}benzoate |
| Molecular Weight: | 416.23 |
| Molecular Formula: | C17 H14 Br N5 O3 |
| Smiles: | CCOC(c1ccc(cc1)NC(c1c(ccc(n1)n1cnnc1)[Br])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4003 |
| logD: | 3.3718 |
| logSw: | -3.4881 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.965 |
| InChI Key: | UAEQSBCAYQMFRO-UHFFFAOYSA-N |